DOI: 10.1063/1.452814. Dipped adcluster model for chemisorptions and catalytic reactions on a metal surface

Dipped adcluster model for chemisorptions and catalytic reactions on a metal surface

10.1063/1.452814

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We propose a model for chemisorptions and surface reactions in which ‘‘adcluster’’ (admolecule+cluster) is dipped onto the electron ‘‘bath’’ of a solid metal and an equilibrium is established for the electron and/or spin transfer between them. The equilibrium condition is described with the use of the chemical potentials of the adcluster and the solid surface. Since the adcluster is a partial system, the number of the transferred electrons n is not necessarily an integer. Some typical behaviors of the energy E(n) of the adcluster are explained. A molecular orbital model is proposed to calculate the energy E(n) and the electronic structure of the adcluster. The electrostatic energy due to a charge polarization is also important though it is insensitive to the chemical structure of the adcluster. Sample application is given for the Pd–O2 system.

Bibliography

Nakatsuji, H. (1987). Dipped adcluster model for chemisorptions and catalytic reactions on a metal surface. The Journal of Chemical Physics, 87(8), 4995â5001.

Authors 1

Hiroshi Nakatsuji (first)

References 41 Referenced 63

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{'key': '2024021005241775900_r2'}
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Dates

Type	When
Created	23 years ago (July 26, 2002, 9:20 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 1:55 a.m.)
Indexed	2 months, 1 week ago (June 16, 2025, 8:07 a.m.)
Issued	37 years, 10 months ago (Oct. 15, 1987)
Published	37 years, 10 months ago (Oct. 15, 1987)
Published Print	37 years, 10 months ago (Oct. 15, 1987)

Funders 0

None

BibTeX

@article{Nakatsuji_1987, title={Dipped adcluster model for chemisorptions and catalytic reactions on a metal surface}, volume={87}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.452814}, DOI={10.1063/1.452814}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Nakatsuji, Hiroshi}, year={1987}, month=oct, pages={4995–5001} }

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